1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

C13H20N2OS — CID 53016835

IUPAC1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-5-4-6-15(7-11)10(3)16/h8-9,11H,4-7H2,1-3H3
InChIKeySNLILVVCMMZLCK-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.99
Rot. Bonds2

About 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 53016835) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
PubChem CID53016835
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCCC(c2nc(C(C)C)cs2)C1
InChIInChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-5-4-6-15(7-11)10(3)16/h8-9,11H,4-7H2,1-3H3
InChIKeySNLILVVCMMZLCK-UHFFFAOYSA-N
XLogP2.99
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
2-(1-methylpyrazol-4-yl)-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777671
1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016829
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 95777712
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650
morpholin-3-yl-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119893105
2-(4-aminophenyl)-1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 119893107
(4-methoxypiperidin-4-yl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893150
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 95777676

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone (CID 53016835) is 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is CC(=O)N1CCCC(c2nc(C(C)C)cs2)C1.
What is the InChIKey of 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is SNLILVVCMMZLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9(2)12-8-17-13(14-12)11-5-4-6-15(7-11)10(3)16/h8-9,11H,4-7H2,1-3H3.
What are the key properties of 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone?
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 252.38 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53016835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).